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tianya95

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*data for   ICSD #30995
Coll Code   30995
Rec  Date   1987/03/16
Mod  Date   2009/02/01
Chem Name   Dibismuth Dioxide Catena-silicate - Ht
Structured  Bi2 O2 (Si O3)
Sum         Bi2 O5 Si1
ANX         AB2X5
D(calc)     7.92
Title       Crystal structure of bismuth silicate Bi2 Si O5
Author(s)   Ketterer, J.;Kraemer, V.
Reference   Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-)
            (1986), 1986, 13-18
            Phase Transition
            (1992), 38, 127-220
Unit Cell   15.173(2) 5.4729(7) 5.3132(7) 90. 90. 90.
Vol         441.21
Z           4
Space Group C m c 21
SG Number   36
Cryst Sys   orthorhombic
Pearson     oS32
Wyckoff     b3 a2
R Value     .052
Red Cell    C  5.313 5.472 8.064 109.834 90 89.999 220.605
Trans Red   0.000 0.000 1.000 / 0.000 -1.000 0.000 / 0.500 0.500 0.000
Comments    Stable above 610 K (2nd ref., Tomaszewski)
            AE: Bi: O6; Si: O4; O1: Si2; O2: Bi2 Si; O3: Bi4
            The structure has been assigned a PDF number (calculated
            powder diffraction data): 01-075-1483
            The structure has been assigned a PDF number (experimental
            powder diffraction data): 36-287
            Structure type prototype : Bi2O2SiO3
            Structure type : Bi2O2SiO3
            X-ray diffraction from single crystal
Atom  #   OX   SITE      x           y           z           SOF      H        ITF(U)   
Bi   1  +3    8 b   0.1648(1)   0.2174(1)   0.25           1.         0               0
Si   1  +4    4 a   0           0.675(2)    0.200(2)       1.         0               0
O    1  -2    4 a   0           0.522(8)    0.478(9)       1.         0        0.017(7)
O    2  -2    8 b   0.092(2)    0.171(4)    0.689(4)       1.         0        0.018(5)
O    3  -2    8 b   0.251(1)    0.491(5)    0.473(4)       1.         0        0.009(3)
Lbl  Type      U11         U22         U33         U12         U13         U23
Bi1  Bi3+  0.0111(3)   0.0107(3)   0.0102(4)   0.0029(2)   0.006(1)    -0.002(2)   
Si1  Si4+  0.007(5)    0.012(4)    0.016(8)    0           0           -0.008(3)   
*end for    ICSD #30995
2Â¥2017-04-06 12:33:58
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tianya95

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3Â¥2017-04-06 12:35:22
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